methyl 2-{[(6-hydroxy-7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]amino}-4,5-dimethoxybenzoate
Chemical Structure Depiction of
methyl 2-{[(6-hydroxy-7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]amino}-4,5-dimethoxybenzoate
methyl 2-{[(6-hydroxy-7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]amino}-4,5-dimethoxybenzoate
Compound characteristics
| Compound ID: | Y041-2618 |
| Compound Name: | methyl 2-{[(6-hydroxy-7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]amino}-4,5-dimethoxybenzoate |
| Molecular Weight: | 399.4 |
| Molecular Formula: | C21 H21 N O7 |
| Smiles: | Cc1cc2c(cc1O)C(CNc1cc(c(cc1C(=O)OC)OC)OC)=CC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 3.0039 |
| logD: | 3.0028 |
| logSw: | -2.9956 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.165 |
| InChI Key: | QXDYAUDXMUSYDW-UHFFFAOYSA-N |